SCHEMBL5380979

SCHEMBL5380979

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN11 Q06124 1/20 0.41
PTGS1 P23219 1/20 0.39
TBXAS1 P24557 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPK14 Q16539 1/20 0.39
SCN9A Q15858 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GBA1 P04062 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5388147 0.93 TSHR (0.41) CA12CA1CA2CA9TSHR
SCHEMBL5384951 0.92 SCN9A (0.43) CA12CA1CA2CA9TSHR
SCHEMBL5381063 0.91 KLKB1 (0.44) CA12CA1CA2CA9TSHR
SCHEMBL5388843 0.89 FADS1 (0.46) SMN1; SMN2RAB9ASCN9AGBA1
SCHEMBL5387068 0.88 LMNA (0.39) CA12CA1CA2CA9TSHR
SCHEMBL14440372 0.87 KLKB1 (0.42) CA12CA1CA2CA9TSHR
SCHEMBL5375803 0.87 AURKA (0.44) CA12CA1CA2CA9TSHR
SCHEMBL5396101 0.87 SCN9A (0.39) SMN1; SMN2SCN9AMAPT
SCHEMBL5382253 0.87 KLKB1 (0.48) CA12CA1CA2CA9TSHR
SCHEMBL5383376 0.87 CA12 (0.42) CA12CA1CA2CA9RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US claimed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US claimed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 CA12 4832/4885CA1 4865/4885CA2 4432/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CA12 4536/4885CA1 4538/4885CA2 3795/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.